Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8710009 | 0.92 | GAA (0.41) | EGFRERBB2PPARAITGB3ITGAV | |
| SCHEMBL8709894 | 0.92 | FLT1 (0.44) | EGFRERBB2PPARAITGB3ITGAV | |
| SCHEMBL6322172 | 0.90 | TDP1 (0.40) | ITGB3ITGAVMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8712259 | 0.90 | BMP1 (0.43) | EGFRERBB2PPARAMAPTAKR1C3 | |
| SCHEMBL6320795 | 0.89 | EDNRA (0.39) | ITGB3ITGAVAKR1C3AKR1C2NPC1 | |
| SCHEMBL8712035 | 0.89 | EDNRA (0.39) | ITGB3ITGAV | |
| SCHEMBL8709961 | 0.88 | ITGB3 (0.36) | EGFRERBB2PPARAITGB3ITGAV | |
| SCHEMBL8708878 | 0.88 | LARS1 (0.43) | ITGB3ITGAVMAPT | |
| SCHEMBL8709051 | 0.86 | MAPT (0.39) | EGFRERBB2PPARAITGB3ITGAV | |
| SCHEMBL8705895 | 0.85 | ALDH1A1 (0.41) | ITGB3ITGAVMAPTMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998041515-A1 | ENDOTHOLIN RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-09-24 | — | — | WO | disclosed |